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1-(4'-Anisylethynyl)-8-(3'-pyridylethynyl)naphthalene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(4'-Anisylethynyl)-8-(3'-pyridylethynyl)naphthalene
SpectraBase Compound ID IYR6RVTxoZ5
InChI InChI=1S/C26H17NO/c1-28-25-16-12-20(13-17-25)10-14-23-8-2-6-22-7-3-9-24(26(22)23)15-11-21-5-4-18-27-19-21/h2-9,12-13,16-19H,1H3
InChIKey NQIUUPNCMAQISA-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C26H17NO
Exact Mass 359.131014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LqUi7hhkW7
Name 1-(4'-Anisylethynyl)-8-(3'-pyridylethynyl)naphthalene
Comments Computed using HOSE algorithm
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Exact Mass 359.131014170 u
Formula C26H17NO
InChI InChI=1S/C26H17NO/c1-28-25-16-12-20(13-17-25)10-14-23-8-2-6-22-7-3-9-24(26(22)23)15-11-21-5-4-18-27-19-21/h2-9,12-13,16-19H,1H3
InChIKey NQIUUPNCMAQISA-UHFFFAOYSA-N
Molecular Weight 359.428 g/mol
SMILES C(#CC=1C=NC=CC1)C1=C2C(C#CC3=CC=C(C=C3)OC)=CC=CC2=CC=C1